MedKoo Cat#: 574304 | Name: JKE-1716
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

JKE-1716 is an inhibitor of glutathione peroxidase 4 (GPX4) and a derivative of the GPX4 inhibitor ML-210. JKE-1716 reduces viability of LOX-IMVI cancer cells in a concentration-dependent manner and in a panel of additional cancer cell lines, an effect that can be blocked by the ferroptosis inhibitor ferrostatin-1.

Chemical Structure

JKE-1716
JKE-1716
CAS#2421118-05-8

Theoretical Analysis

MedKoo Cat#: 574304

Name: JKE-1716

CAS#: 2421118-05-8

Chemical Formula: C20H20Cl2N4O4

Exact Mass: 450.0862

Molecular Weight: 451.30

Elemental Analysis: C, 53.23; H, 4.47; Cl, 15.71; N, 12.41; O, 14.18

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 615.00 2 Weeks
25mg USD 975.00 2 Weeks
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Related CAS #
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Synonym
JKE-1716, JKE1716, JKE 1716
IUPAC/Chemical Name
(E)-1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-3-(hydroxyimino)-3-nitropropan-1-one
InChi Key
HZFRTZXJNACSIE-PTGBLXJZSA-N
InChi Code
InChI=1S/C20H20Cl2N4O4/c21-16-5-1-14(2-6-16)20(15-3-7-17(22)8-4-15)25-11-9-24(10-12-25)19(27)13-18(23-28)26(29)30/h1-8,20,28H,9-13H2/b23-18+
SMILES Code
O=C(CC([N+]([O-])=O)=NO)N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3)CC1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Biological target:
JKE-1716 is a potent and selective nitrolic acid-containing GPX4 inhibitor.
In vitro activity:
Indeed, several inactive primary nitroalkane analogs (50, 53, and 54) could be transformed into potent nitrolic acid-containing GPX4 inhibitors (56 (JKE-1716)–58) (Fig. 5e–g and Supplementary Fig. 17a–d). Reference: Nat Chem Biol. 2020 May;16(5):497-506. https://pubmed.ncbi.nlm.nih.gov/32231343/
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 451.30 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Eaton JK, Furst L, Ruberto RA, Moosmayer D, Hilpmann A, Ryan MJ, Zimmermann K, Cai LL, Niehues M, Badock V, Kramm A, Chen S, Hillig RC, Clemons PA, Gradl S, Montagnon C, Lazarski KE, Christian S, Bajrami B, Neuhaus R, Eheim AL, Viswanathan VS, Schreiber SL. Selective covalent targeting of GPX4 using masked nitrile-oxide electrophiles. Nat Chem Biol. 2020 May;16(5):497-506. doi: 10.1038/s41589-020-0501-5. Epub 2020 Mar 30. PMID: 32231343; PMCID: PMC7251976.
In vitro protocol:
1. Eaton JK, Furst L, Ruberto RA, Moosmayer D, Hilpmann A, Ryan MJ, Zimmermann K, Cai LL, Niehues M, Badock V, Kramm A, Chen S, Hillig RC, Clemons PA, Gradl S, Montagnon C, Lazarski KE, Christian S, Bajrami B, Neuhaus R, Eheim AL, Viswanathan VS, Schreiber SL. Selective covalent targeting of GPX4 using masked nitrile-oxide electrophiles. Nat Chem Biol. 2020 May;16(5):497-506. doi: 10.1038/s41589-020-0501-5. Epub 2020 Mar 30. PMID: 32231343; PMCID: PMC7251976.
In vivo protocol:
TBD
1. Eaton, J.K., Furst, L., Ruberto, R.A., et al. Selective covalent targeting of GPX4 using masked nitrile-oxide electrophiles. Nat. Chem. Biol. 16(5), 497-506 (2020).